Acetic acid 2,6-dichloro-3-heptadecafluorooctyl-benzyl ester | 190722-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Acetic acid 2,6-dichloro-3-heptadecafluorooctyl-benzyl ester
• CAS: 190722-81-7
• 化学式: C₁₇H₇Cl₂F₁₇O₂
• 分子量: 637.12
• InChiKey: BEFDTRUKUDQLSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  348.7±42.0 °C(Predicted)
• 密度：
  1.626±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.52
• 重原子数：
  38.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  Acetic acid 2,6-dichloro-3-heptadecafluorooctyl-benzyl ester 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以90%的产率得到[2,6-dichloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methanol
  参考文献：
  名称：

  Epoxidation of Alkenes Under Liquid-Liquid Biphasic Conditions: Synthesis and Catalytic Activity of Mn(III)-Tetraarylporphyrins Bearing Perfluoroalkyl Tails.

  摘要：

  Four tetraarylporphyrins bearing one n-C8F17 chain on each meso-aryl group have been synthesized. The Mn(III)-complexes of these new compounds (Mn-1 - Mn-4) were used as catalysts in alkene epoxidations carried out under aqueous-organic biphasic conditions. High epoxide yields were obtained with catalysts in which, along with perfluoroalkyl chains, bulky substituents were present at appropriate positions. The expected general enhancement of stability and catalytic activity due to the electron-withdrawing effect of n-C8F17 substituents was not observed. However, Mn-4 was found to be an exceptionally active catalyst for NaOCl promoted epoxidation of poorly reactive linear alpha-alkenes. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00272-x
• 作为产物：
  描述：

  2,4-二氯-3-甲基苯胺 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 碘 、 四丁基硫酸氢铵 、 铜 、 potassium iodide 、 sodium nitrite 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 反应 26.25h， 生成 Acetic acid 2,6-dichloro-3-heptadecafluorooctyl-benzyl ester
  参考文献：
  名称：

  Epoxidation of Alkenes Under Liquid-Liquid Biphasic Conditions: Synthesis and Catalytic Activity of Mn(III)-Tetraarylporphyrins Bearing Perfluoroalkyl Tails.

  摘要：

  Four tetraarylporphyrins bearing one n-C8F17 chain on each meso-aryl group have been synthesized. The Mn(III)-complexes of these new compounds (Mn-1 - Mn-4) were used as catalysts in alkene epoxidations carried out under aqueous-organic biphasic conditions. High epoxide yields were obtained with catalysts in which, along with perfluoroalkyl chains, bulky substituents were present at appropriate positions. The expected general enhancement of stability and catalytic activity due to the electron-withdrawing effect of n-C8F17 substituents was not observed. However, Mn-4 was found to be an exceptionally active catalyst for NaOCl promoted epoxidation of poorly reactive linear alpha-alkenes. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00272-x